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8-{[3-(3-Meth­oxy­phen­yl)-1,2,4-oxa­diazol-5-yl]meth­oxy}quinoline monohydrate

In the title hydrate, C(19)H(15)N(3)O(3)·H(2)O, the three aromatic groups in the quinoline derivative are close to coplanar: the central oxa­diazole fragment makes dihedral angles of 15.7 (2)° with the benzene ring and 5.30 (14)° with the quinoline ring system. In the crystal, the organic mol­ecules...

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Autores principales: Shen, Hong, Bai, Shu-Yuan, Han, Xin-Yi, Li, Xiang-Zhi, Wang, Hai-Bo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648286/
https://www.ncbi.nlm.nih.gov/pubmed/23723906
http://dx.doi.org/10.1107/S1600536813010271
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author Shen, Hong
Bai, Shu-Yuan
Han, Xin-Yi
Li, Xiang-Zhi
Wang, Hai-Bo
author_facet Shen, Hong
Bai, Shu-Yuan
Han, Xin-Yi
Li, Xiang-Zhi
Wang, Hai-Bo
author_sort Shen, Hong
collection PubMed
description In the title hydrate, C(19)H(15)N(3)O(3)·H(2)O, the three aromatic groups in the quinoline derivative are close to coplanar: the central oxa­diazole fragment makes dihedral angles of 15.7 (2)° with the benzene ring and 5.30 (14)° with the quinoline ring system. In the crystal, the organic mol­ecules are connected with water mol­ecules by pairs of O—H⋯N hydrogen bonds involving the quinoline and oxa­diazole N atoms. The mol­ecules form stacks along the a axis, neighboring mol­ecules within each stack being related by inversion and the shortest distance between the centroids of the oxa­diazole and pyridine rings being 3.500 (2) Å. Mol­ecules from neighboring stacks are linked by weak C—H⋯O hydrogen bonds, forming a three-dimensional structure.
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spelling pubmed-36482862013-05-30 8-{[3-(3-Meth­oxy­phen­yl)-1,2,4-oxa­diazol-5-yl]meth­oxy}quinoline monohydrate Shen, Hong Bai, Shu-Yuan Han, Xin-Yi Li, Xiang-Zhi Wang, Hai-Bo Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrate, C(19)H(15)N(3)O(3)·H(2)O, the three aromatic groups in the quinoline derivative are close to coplanar: the central oxa­diazole fragment makes dihedral angles of 15.7 (2)° with the benzene ring and 5.30 (14)° with the quinoline ring system. In the crystal, the organic mol­ecules are connected with water mol­ecules by pairs of O—H⋯N hydrogen bonds involving the quinoline and oxa­diazole N atoms. The mol­ecules form stacks along the a axis, neighboring mol­ecules within each stack being related by inversion and the shortest distance between the centroids of the oxa­diazole and pyridine rings being 3.500 (2) Å. Mol­ecules from neighboring stacks are linked by weak C—H⋯O hydrogen bonds, forming a three-dimensional structure. International Union of Crystallography 2013-04-20 /pmc/articles/PMC3648286/ /pubmed/23723906 http://dx.doi.org/10.1107/S1600536813010271 Text en © Shen et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Shen, Hong
Bai, Shu-Yuan
Han, Xin-Yi
Li, Xiang-Zhi
Wang, Hai-Bo
8-{[3-(3-Meth­oxy­phen­yl)-1,2,4-oxa­diazol-5-yl]meth­oxy}quinoline monohydrate
title 8-{[3-(3-Meth­oxy­phen­yl)-1,2,4-oxa­diazol-5-yl]meth­oxy}quinoline monohydrate
title_full 8-{[3-(3-Meth­oxy­phen­yl)-1,2,4-oxa­diazol-5-yl]meth­oxy}quinoline monohydrate
title_fullStr 8-{[3-(3-Meth­oxy­phen­yl)-1,2,4-oxa­diazol-5-yl]meth­oxy}quinoline monohydrate
title_full_unstemmed 8-{[3-(3-Meth­oxy­phen­yl)-1,2,4-oxa­diazol-5-yl]meth­oxy}quinoline monohydrate
title_short 8-{[3-(3-Meth­oxy­phen­yl)-1,2,4-oxa­diazol-5-yl]meth­oxy}quinoline monohydrate
title_sort 8-{[3-(3-meth­oxy­phen­yl)-1,2,4-oxa­diazol-5-yl]meth­oxy}quinoline monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648286/
https://www.ncbi.nlm.nih.gov/pubmed/23723906
http://dx.doi.org/10.1107/S1600536813010271
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